4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole

C18H17NO2S — CID 70800600

IUPAC4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C18H17NO2S/c1-12-19-17(18(22-12)13-7-5-4-6-8-13)14-9-10-15(20-2)16(11-14)21-3/h4-11H,1-3H3
InChIKeyHBWBDDCVMQNUCG-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.80
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole

4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole (PubChem CID 70800600) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
PubChem CID70800600
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
SMILESCOc1ccc(-c2nc(C)sc2-c2ccccc2)cc1OC
InChIInChI=1S/C18H17NO2S/c1-12-19-17(18(22-12)13-7-5-4-6-8-13)14-9-10-15(20-2)16(11-14)21-3/h4-11H,1-3H3
InChIKeyHBWBDDCVMQNUCG-UHFFFAOYSA-N
XLogP4.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole (CID 70800600) is 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole is COc1ccc(-c2nc(C)sc2-c2ccccc2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole?
The InChIKey is HBWBDDCVMQNUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-12-19-17(18(22-12)13-7-5-4-6-8-13)14-9-10-15(20-2)16(11-14)21-3/h4-11H,1-3H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole?
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole has a molecular weight of 311.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole is sourced from PubChem (CID 70800600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).